N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide

C21H30F2N4O4 — CID 55698643

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)cc1OC(F)F
InChIInChI=1S/C21H30F2N4O4/c1-15-5-3-4-8-27(15)19(28)14-25-9-11-26(12-10-25)21(29)24-16-6-7-17(30-2)18(13-16)31-20(22)23/h6-7,13,15,20H,3-5,8-12,14H2,1-2H3,(H,24,29)
InChIKeyHVSANZKAEUFPKS-UHFFFAOYSA-N
MW440.49 g/mol
LogP2.85
Rot. Bonds6

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 55698643) has the molecular formula C21H30F2N4O4 and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID55698643
Molecular FormulaC21H30F2N4O4
Molecular Weight440.49 g/mol
Exact Mass440.22
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)cc1OC(F)F
InChIInChI=1S/C21H30F2N4O4/c1-15-5-3-4-8-27(15)19(28)14-25-9-11-26(12-10-25)21(29)24-16-6-7-17(30-2)18(13-16)31-20(22)23/h6-7,13,15,20H,3-5,8-12,14H2,1-2H3,(H,24,29)
InChIKeyHVSANZKAEUFPKS-UHFFFAOYSA-N
XLogP2.85
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78871735
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
N-(4-acetamido-2-chlorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 56583415
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 86988216
N-(2,4-difluorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 75806651
N-(2,5-dimethoxyphenyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36897882
(3aR,4R,7R,7aR)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 100616772
2-[4-(4-methoxy-3-nitrobenzoyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 55564135
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 18280720
3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 78770360
N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide
CID 38824177

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide (CID 55698643) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(CC(=O)N3CCCCC3C)CC2)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is HVSANZKAEUFPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2N4O4/c1-15-5-3-4-8-27(15)19(28)14-25-9-11-26(12-10-25)21(29)24-16-6-7-17(30-2)18(13-16)31-20(22)23/h6-7,13,15,20H,3-5,8-12,14H2,1-2H3,(H,24,29).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 55698643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).